We (W. Hu, B. Gu, I. Franco) published a paper in J Chem Phys titled

“Lessons on electronic decoherence in molecules from exact modeling”.

In this paper, we use exact numerical methods to investigate the electronic decoherence in molecules and provides answers to several fundamental questions in decoherence study.

I presented our group’s recent work on the APS March meeting in Los Angeles including

B. Gu, W. Hu, and I. Franco, “Quantifying early-time decoherence dynamics through fluctuations”;

B. Gu and I. Franco, “Partial hydrodynamic representation of quantum molecular dynamics” ;

B. Gu, A. Garzon, I. Franco, “Optical absorption properties of laser-dressed matter”;

R. Carey, L. Chen, B. Gu and I. Franco, “When can time-dependent currents be reproduced by the Landauer steady-state approximation?”. 

We publish a paper to J. Phys. Chem. Lett. that generalizes the theory for the electronic decoherence timescale.  The theory offers a rigorous understanding of early time electronic decoherence and revealed that electronic transitions among diabatic states can play an important role in the decoherence dynamics.

 

 

I am going to present our work on electronic decoherence, the optical absorption of non-equilibrium material and excited state dynamics at the upcoming APS conference in Los Angeles.

I highly recommend the book “Nonequilibrium Many-Body Theory of Quantum Systems” by G. Stefanucci and R. van Leeuwen for those who want to learn many-body perturbation theory, especially in the context of quantum transport.

Ignacio and I submit a paper titled “General theory of molecular electronic decoherence in condensed phase”.

I received a travel award from the Division of Chemical Physics of American Physics Society to attend the March meeting in Los Angeles!

Ignacio Franco and I derive a general but simple formula for decoherence times.  As it demonstrates, the initial purity decay is Gaussian and the associated timescale is determined only by the fluctuations of system and bath operators that enter into the interaction Hamiltonian.  Using this formula, we also showed that mixed quantum-classical methods like Ehrenfest dynamics can capture decoherence correctly provided the initial conditions are sampled from a Wigner distribution.

This paper is published in J. Phys. Chem. Lett., check it out!